methyl 6-[3-oxidanyl-4-(4-oxidanylphenoxy)-4-(piperidin-4-ylamino)butyl]pyridine-3-carboxylate

Systemtic Name: methyl 6-[3-oxidanyl-4-(4-oxidanylphenoxy)-4-(piperidin-4-ylamino)butyl]pyridine-3-carboxylate Openeye Name: methyl 6-[3-hydroxy-4-(4-hydroxyphenoxy)-4-(4-piperidylamino)butyl]pyridine-3-carboxylate CAS Name: 6-[3-hydroxy-4-(4-hydroxyphenoxy)-4-(4-piperidinylamino)butyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[3-hydroxy-4-(4-hydroxyphenoxy)-4-(piperidin-4-ylamino)butyl]pyridine-3-carboxylate Traditional Name: 6-[3-hydroxy-4-(4-hydroxyphenoxy)-4-(4-piperidylamino)butyl]nicotinic acid methyl ester Formula: C22H29N3O5 MolecularWeight: 415.48276

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=C(C=C1)CCC(C(NC2CCNCC2)OC3=CC=C(C=C3)O)O

Isomeric SMILES

COC(=O)C1=CN=C(C=C1)CCC(C(NC2CCNCC2)OC3=CC=C(C=C3)O)O

InChI

InChI=1S/C22H29N3O5/c1-29-22(28)15-2-3-16(24-14-15)4-9-20(27)21(25-17-10-12-23-13-11-17)30-19-7-5-18(26)6-8-19/h2-3,5-8,14,17,20-21,23,25-27H,4,9-13H2,1H3